ethyl 2-(2-aminophenyl)but-2-enoate

C12H15NO2 — CID 165178823

IUPACethyl 2-(2-aminophenyl)but-2-enoate
SMILESCC=C(C(=O)OCC)c1ccccc1N
InChIInChI=1S/C12H15NO2/c1-3-9(12(14)15-4-2)10-7-5-6-8-11(10)13/h3,5-8H,4,13H2,1-2H3
InChIKeyIXMHYUWUEYKGDX-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.24
Rot. Bonds3

About ethyl 2-(2-aminophenyl)but-2-enoate

ethyl 2-(2-aminophenyl)but-2-enoate (PubChem CID 165178823) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is ethyl 2-(2-aminophenyl)but-2-enoate.

Molecular Properties

Compound Nameethyl 2-(2-aminophenyl)but-2-enoate
PubChem CID165178823
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Nameethyl 2-(2-aminophenyl)but-2-enoate
SMILESCC=C(C(=O)OCC)c1ccccc1N
InChIInChI=1S/C12H15NO2/c1-3-9(12(14)15-4-2)10-7-5-6-8-11(10)13/h3,5-8H,4,13H2,1-2H3
InChIKeyIXMHYUWUEYKGDX-UHFFFAOYSA-N
XLogP2.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(2-phenylphenyl)but-2-enoate
CID 141332737
ethyl 2-[1-(2-aminophenyl)ethenoxy]prop-2-enoate
CID 153370255
ethyl 3-fluoro-2-(2-fluorophenyl)prop-2-enoate
CID 144859412
ethyl (E)-2-(4-methylphenyl)but-2-enoate
CID 88506230
ethyl (Z)-2-[2-(bromomethyl)phenyl]-3-methoxyprop-2-enoate
CID 70404392
2-aminobenzoic acid;propanoic acid
CID 67067565
ethyl (E)-3-(2-bromophenyl)-2-(2-hydroxyphenyl)prop-2-enoate
CID 135077471
ethyl (Z)-3-hydroxy-2-phenylprop-2-enoate
CID 12898650
ethyl (Z)-3-amino-2-phenylprop-2-enoate
CID 168921248
ethyl 3-(dimethylamino)-2-phenylprop-2-enoate
CID 57057517
ethyl (Z)-2-(2-methylphenyl)-3-nitroprop-2-enoate
CID 135078832
ethyl 2-phenylpent-2-enoate
CID 148550128

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-aminophenyl)but-2-enoate?
The IUPAC name of ethyl 2-(2-aminophenyl)but-2-enoate (CID 165178823) is ethyl 2-(2-aminophenyl)but-2-enoate.
What is the SMILES notation for ethyl 2-(2-aminophenyl)but-2-enoate?
The canonical SMILES for ethyl 2-(2-aminophenyl)but-2-enoate is CC=C(C(=O)OCC)c1ccccc1N.
What is the InChIKey of ethyl 2-(2-aminophenyl)but-2-enoate?
The InChIKey is IXMHYUWUEYKGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-9(12(14)15-4-2)10-7-5-6-8-11(10)13/h3,5-8H,4,13H2,1-2H3.
What are the key properties of ethyl 2-(2-aminophenyl)but-2-enoate?
ethyl 2-(2-aminophenyl)but-2-enoate has a molecular weight of 205.26 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-aminophenyl)but-2-enoate is sourced from PubChem (CID 165178823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).